N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

C102H130Cl3FN20O8 — CID 160582559

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (PubChem CID 160582559) has the molecular formula C102H130Cl3FN20O8 and a molecular weight of 1889.65 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
• PubChem CID: 160582559
• Molecular Formula: C102H130Cl3FN20O8
• Molecular Weight: 1889.65 g/mol
• Exact Mass: 1886.94
• IUPAC Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
• SMILES: CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2)N=C1N.CN1OC(C)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N.CN1OCC(C)(c2cccc(-c3cccnc3)c2)N=C1N.COc1cccc(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1.Cc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cc(Cl)n1
• InChI: InChI=1S/2C26H38ClN5O2.C18H21N3O2.C16H15ClFN3O.C16H18N4O/c1-17-13-20(15-22(27)29-17)23(33)30-21-10-6-9-19(14-21)16-26(24(34)32(2)25(28)31-26)12-11-18-7-4-3-5-8-18;1-32-23(33)26(31-24(32)28,15-14-18-6-3-2-4-7-18)17-19-8-5-9-22(16-19)30-25(34)29-21-12-10-20(27)11-13-21;1-18(12-23-21(2)17(19)20-18)15-8-4-6-13(10-15)14-7-5-9-16(11-14)22-3;1-16(20-15(19)21(2)22-16)12-5-3-4-10(8-12)11-6-7-14(18)13(17)9-11;1-16(11-21-20(2)15(17)19-16)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h13,15,18-19,21H,3-12,14,16H2,1-2H3,(H2,28,31)(H,30,33);10-13,18-19,22H,2-9,14-17H2,1H3,(H2,28,31)(H2,29,30,34);4-11H,12H2,1-3H3,(H2,19,20);3-9H,1-2H3,(H2,19,20);3-10H,11H2,1-2H3,(H2,17,19)/t19-,21+,26+;19-,22+,26+;;;/m00.../s1
• InChIKey: RBYYLYIPOPURDK-DVVFITDRSA-N
• XLogP: 18.34
• TPSA: 375.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1889.65
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?

The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (CID 160582559) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.

What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?

The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2)N=C1N.CN1OC(C)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N.CN1OCC(C)(c2cccc(-c3cccnc3)c2)N=C1N.COc1cccc(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1.Cc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cc(Cl)n1.

What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?

The InChIKey is RBYYLYIPOPURDK-DVVFITDRSA-N. The full InChI is InChI=1S/2C26H38ClN5O2.C18H21N3O2.C16H15ClFN3O.C16H18N4O/c1-17-13-20(15-22(27)29-17)23(33)30-21-10-6-9-19(14-21)16-26(24(34)32(2)25(28)31-26)12-11-18-7-4-3-5-8-18;1-32-23(33)26(31-24(32)28,15-14-18-6-3-2-4-7-18)17-19-8-5-9-22(16-19)30-25(34)29-21-12-10-20(27)11-13-21;1-18(12-23-21(2)17(19)20-18)15-8-4-6-13(10-15)14-7-5-9-16(11-14)22-3;1-16(20-15(19)21(2)22-16)12-5-3-4-10(8-12)11-6-7-14(18)13(17)9-11;1-16(11-21-20(2)15(17)19-16)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h13,15,18-19,21H,3-12,14,16H2,1-2H3,(H2,28,31)(H,30,33);10-13,18-19,22H,2-9,14-17H2,1H3,(H2,28,31)(H2,29,30,34);4-11H,12H2,1-3H3,(H2,19,20);3-9H,1-2H3,(H2,19,20);3-10H,11H2,1-2H3,(H2,17,19)/t19-,21+,26+;19-,22+,26+;;;/m00.../s1.

What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine has a molecular weight of 1889.65 g/mol, XLogP of 18.34, 21 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 160582559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).